7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide

C23H20F7N5O2 — CID 134181892

About 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide

7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide (PubChem CID 134181892) has the molecular formula C23H20F7N5O2 and a molecular weight of 531.43 g/mol. Its IUPAC name is 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 134181892
• Molecular Formula: C23H20F7N5O2
• Molecular Weight: 531.43 g/mol
• Exact Mass: 531.15
• IUPAC Name: 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide
• SMILES: CC[C@@H](NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CCCC(F)(F)C3)ccc2c1=O)C(F)(F)F
• InChI: InChI=1S/C23H20F7N5O2/c1-2-16(23(28,29)30)32-21(37)14-10-35(20-15(25)8-12(24)9-31-20)19-13(18(14)36)4-5-17(33-19)34-7-3-6-22(26,27)11-34/h4-5,8-10,16H,2-3,6-7,11H2,1H3,(H,32,37)/t16-/m1/s1
• InChIKey: BVRSZNGCDDMUKQ-MRXNPFEDSA-N
• XLogP: 4.37
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.43
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide (CID 134181892) is 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide is CC[C@@H](NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CCCC(F)(F)C3)ccc2c1=O)C(F)(F)F.

What is the InChIKey of 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide?

The InChIKey is BVRSZNGCDDMUKQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20F7N5O2/c1-2-16(23(28,29)30)32-21(37)14-10-35(20-15(25)8-12(24)9-31-20)19-13(18(14)36)4-5-17(33-19)34-7-3-6-22(26,27)11-34/h4-5,8-10,16H,2-3,6-7,11H2,1H3,(H,32,37)/t16-/m1/s1.

What are the key properties of 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide?

7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 531.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,3-difluoropiperidin-1-yl)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134181892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).